SCHEMBL4042672

SCHEMBL4042672

CC(C)CC(NC(=O)Oc1ccc(-c2ccccn2)s1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.41
CHRNB2 P17787 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
ALDH1A1 P00352 3/20 0.32
CTSL P07711 5/20 0.32
CTSS P25774 5/20 0.32
ELANE P08246 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
CTSB P07858 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MMP13 P45452 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PREP P48147 1/20 0.32
FAP Q12884 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4045331 0.93 CTSK (0.43) CTSKCHRNB2CHRNA7CHRNA4CTSL
SCHEMBL4046884 0.93 CTSK (0.34) CTSKCHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL4046924 0.91 CTSK (0.40) CTSKCHRNB2CHRNA7CHRNA4ALDH1A1
SCHEMBL4045577 0.91 CTSK (0.41) CTSKALDH1A1CTSLCTSSMMP3
SCHEMBL4042338 0.87 CTSK (0.43) CTSKALDH1A1CTSLCTSSCTSB
SCHEMBL4041363 0.87 CTSK (0.42) CTSKCTSLCTSSELANEMMP1
SCHEMBL4049412 0.87 CTSK (0.42) CTSKALDH1A1CTSLCTSSELANE
SCHEMBL4044808 0.86 CTSK (0.36) CTSKCHRNB2CHRNA7CHRNA4CTSS
SCHEMBL4042987 0.85 CTSK (0.41) CTSKALDH1A1CTSLCTSSELANE
SCHEMBL4045571 0.85 CTSK (0.46) CTSKCHRNA7CTSLCTSSELANE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS CTSK 2/4885CHRNB2 3423/4885CHRNA7 1466/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.